3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

C12H17N3O — CID 91418917

IUPAC3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESNC(=O)C1=CCN2CC3CCC(CC3)C2=N1
InChIInChI=1S/C12H17N3O/c13-11(16)10-5-6-15-7-8-1-3-9(4-2-8)12(15)14-10/h5,8-9H,1-4,6-7H2,(H2,13,16)
InChIKeyBWMQGQFQSFSVKB-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.89
Rot. Bonds1

About 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (PubChem CID 91418917) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.

Molecular Properties

Compound Name3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
PubChem CID91418917
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESNC(=O)C1=CCN2CC3CCC(CC3)C2=N1
InChIInChI=1S/C12H17N3O/c13-11(16)10-5-6-15-7-8-1-3-9(4-2-8)12(15)14-10/h5,8-9H,1-4,6-7H2,(H2,13,16)
InChIKeyBWMQGQFQSFSVKB-UHFFFAOYSA-N
XLogP0.89
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
CID 123239591
6-Oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
CID 123458120

Frequently Asked Questions

What is the IUPAC name of 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The IUPAC name of 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (CID 91418917) is 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.
What is the SMILES notation for 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The canonical SMILES for 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is NC(=O)C1=CCN2CC3CCC(CC3)C2=N1.
What is the InChIKey of 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The InChIKey is BWMQGQFQSFSVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11(16)10-5-6-15-7-8-1-3-9(4-2-8)12(15)14-10/h5,8-9H,1-4,6-7H2,(H2,13,16).
What are the key properties of 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is sourced from PubChem (CID 91418917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).